Molecule

ID:58471

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O₄
Molecular Mass
308.41252
Exact Mass
308.19875938
Charge
0
InChI
InChI=1S/C18H28O4/c1-3-21-15(19)10-17-6-13-5-14(7-17)9-18(8-13,12-17)11-16(20)22-4-2/h13-14H,3-12H2,1-2H3
InChIKey
OKUZLGBPKJLVJL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC12CC3CC(C1)CC(C2)(C3)CC(=O)OCC
Isomeric Smiles
C1C2CC3(CC1CC(C3)(C2)CC(=O)OCC)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7421887
LogD (pH = 7.4)
2.7421887
Log P
2.7421887
Molar Refractivity
82.7144
Polarizability
33.239727
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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